4-pentylcyclohexanone

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1990-08-15 to 1990-12-13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

> 4.5

Temp.:

20 °C

pH:

6.1

(a) Summary

 The partition coefficient octanol water of the test item was determined to be logPow >4.505 at 20 °C.

 

(b) Presentation of the results including calculation and statistical methods 

The pH value of the n-noctaol saturated water phase was determined to be 6.1

The pH value of the water saturated n-octanol phase was determined to be 6.1-6.2.

The temperature during the equilibration phase was constant at 21.5 °C.

 

I ) Determination of the test item concentration

 

i) water phase 

sample            concentration

b1                   < 50 mg/L (below LoD)

b2                   < 50 mg/L (below LoD)

c1                   < 50 mg/L (below LoD)

c2                   < 50 mg/L (below LoD)

d1                   < 50 mg/L (below LoD)

d2                   < 50 mg/L (below LoD)

 

ii) n-octanol phase 

sample            concentration

b1                   1.59 mg/L

b2                   1.60 mg/L

c1                   1.63 mg/L

c2                   1.61 mg/L

d1                   1.63 mg/L

d2                   1.64 mg/L

 

II calculation

 

sample	nominal concentration (mg/L)	measured concentration (mg/L)	%	Pow
b1	38.16	38.88	98.15	> 32000
b2	38.40	38.88	98.77	> 32000
c1	29.34	29.16	100.62	> 32000
c2	28.98	29.16	99.33	> 32000
d1	19.56	19.44	100.62	> 32000
d2	19.68	19.44	101.23	> 32000
mean				> 32000
			lgPow	> 4.505

 

Conclusions:

The partition coefficient logPow was determined to be above 4.5 at 20 °C.

Executive summary:

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method. The equilibrium concentration of the test item in both phases was determined by means of GC. After adding the different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the ampules were shaken in a shaking apparatus. After shaking the phases were allowed to separate in the ampules. The pH values of all water phases were measured. The test item concentration in the water phase was below the limit of quantification of 5 ng/mL. The partition coefficient of the test item as determined at 20 °C (pH 6.1) to be logPow = >4.5. 

Description of key information

The partition coefficient logPow was determined to be above 4.5 at 20 °C (reference 4.7 -1).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.5

at the temperature of:

20 °C

Additional information

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method (reference 4.7 -1). The equilibrium concentration of the test item in both phases was determined by means of GC. After adding the different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the ampules were shaken in a shaking apparatus. After shaking the phases were allowed to separate in the ampules. The pH values of all water phases were measured. The test item concentration in the water phase was below the limit of quantification of 5 ng/mL. The partition coefficient of the test item as determined at 20 °C (pH 6.1) to be logPow = >4.5.